Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.9244   -0.1852    0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105    0.3417    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -0.4775   -0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8245   -0.6498   -0.5508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928    0.3729   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290    1.5440   -0.6267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    0.1325   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545   -0.7524   -1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3308    1.3881   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5921   -0.5919    1.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528   -1.2127    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533    0.4165    1.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531    1.3756    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434   -1.4874   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.0311   -1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.4901   -1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142   -0.1189   -2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9409   -1.3374   -0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8600    2.1897   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    1.1946   -0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5398    1.7563    0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5916   -0.5283    1.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649   -1.6662    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391   -0.1829    1.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers